Aspergiloid H

Details

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Internal ID 82628ddd-d836-454a-9d29-f485e4237115
Taxonomy Organoheterocyclic compounds > Naphthopyrans
IUPAC Name (9S,12S)-9-hydroxy-12-methoxy-6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),13,15-tetraen-8-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H24O4/c1-11-7-8-13-12-6-5-9-19(2,3)17(12)18(21)20(22)16(13)15(11)14(23-4)10-24-20/h7-8,14,22H,5-6,9-10H2,1-4H3/t14-,20+/m1/s1
InChI Key LOILOFQMQHVTFF-VLIAUNLRSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H24O4
Molecular Weight 328.40 g/mol
Exact Mass 328.16745924 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Aspergiloid H

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1951 P21397 Monoamine oxidase A 99.01% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.99% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.53% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.54% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.63% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.17% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.55% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.72% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.38% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.11% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.87% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.26% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.12% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 85.04% 94.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.75% 92.62%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.61% 90.93%
CHEMBL340 P08684 Cytochrome P450 3A4 81.16% 91.19%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.15% 96.38%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.98% 92.94%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 80.11% 91.24%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 139586636
LOTUS LTS0042971
wikiData Q77510867